CID 20271388

Methyl 2-hydroxy-2-(pyridin-2-yl)propanoate

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CC(C1=CC=CC=N1)(C(=O)OC)O

InChI

InChI=1S/C9H11NO3/c1-9(12,8(11)13-2)7-5-3-4-6-10-7/h3-6,12H,1-2H3

InChIKey

NNCWNFDMEUWHDI-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-2-pyridin-2-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 181.0739 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.08118	137.8
[M+Na]+	204.06312	149.0
[M+NH4]+	199.10772	144.6
[M+K]+	220.03706	145.1
[M-H]-	180.06662	137.3
[M+Na-2H]-	202.04857	143.7
[M]+	181.07335	139.1
[M]-	181.07445	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe